1-methyl-3-(piperazin-1-ylmethyl)-6-(trifluoromethyl)indole

C15H18F3N3 — CID 117196130

IUPAC1-methyl-3-(piperazin-1-ylmethyl)-6-(trifluoromethyl)indole
SMILESCn1cc(CN2CCNCC2)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C15H18F3N3/c1-20-9-11(10-21-6-4-19-5-7-21)13-3-2-12(8-14(13)20)15(16,17)18/h2-3,8-9,19H,4-7,10H2,1H3
InChIKeyQISVGLWWMNLRRJ-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.60
Rot. Bonds2

About 1-methyl-3-(piperazin-1-ylmethyl)-6-(trifluoromethyl)indole

1-methyl-3-(piperazin-1-ylmethyl)-6-(trifluoromethyl)indole (PubChem CID 117196130) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 1-methyl-3-(piperazin-1-ylmethyl)-6-(trifluoromethyl)indole.

Molecular Properties

Compound Name1-methyl-3-(piperazin-1-ylmethyl)-6-(trifluoromethyl)indole
PubChem CID117196130
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name1-methyl-3-(piperazin-1-ylmethyl)-6-(trifluoromethyl)indole
SMILESCn1cc(CN2CCNCC2)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C15H18F3N3/c1-20-9-11(10-21-6-4-19-5-7-21)13-3-2-12(8-14(13)20)15(16,17)18/h2-3,8-9,19H,4-7,10H2,1H3
InChIKeyQISVGLWWMNLRRJ-UHFFFAOYSA-N
XLogP2.60
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole
CID 82278751
[1-methyl-6-(trifluoromethyl)indol-3-yl]methanamine
CID 105485238
N,N-dimethyl-1-[2-(piperazin-1-ylmethyl)-4-(trifluoromethyl)phenyl]methanamine
CID 142156536
1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 120834258
1-methyl-3-(piperazin-1-ylmethyl)indol-5-amine
CID 117174991
2-methyl-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]propan-2-ol
CID 117122078
6-fluoro-1-methyl-3-(piperidin-1-ylmethyl)indole
CID 117178351
1-methyl-3-(pyrrolidin-1-ylmethyl)indol-6-amine
CID 117178342
3-(piperazin-1-ylmethyl)-1-propan-2-ylindole-6-carboxylic acid
CID 117179158
1-[[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]piperazine
CID 117389294
5-[2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)phenoxy]pyrimidine
CID 135331999
1-[[5-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]piperazine
CID 117429097

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(piperazin-1-ylmethyl)-6-(trifluoromethyl)indole?
The IUPAC name of 1-methyl-3-(piperazin-1-ylmethyl)-6-(trifluoromethyl)indole (CID 117196130) is 1-methyl-3-(piperazin-1-ylmethyl)-6-(trifluoromethyl)indole.
What is the SMILES notation for 1-methyl-3-(piperazin-1-ylmethyl)-6-(trifluoromethyl)indole?
The canonical SMILES for 1-methyl-3-(piperazin-1-ylmethyl)-6-(trifluoromethyl)indole is Cn1cc(CN2CCNCC2)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 1-methyl-3-(piperazin-1-ylmethyl)-6-(trifluoromethyl)indole?
The InChIKey is QISVGLWWMNLRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-20-9-11(10-21-6-4-19-5-7-21)13-3-2-12(8-14(13)20)15(16,17)18/h2-3,8-9,19H,4-7,10H2,1H3.
What are the key properties of 1-methyl-3-(piperazin-1-ylmethyl)-6-(trifluoromethyl)indole?
1-methyl-3-(piperazin-1-ylmethyl)-6-(trifluoromethyl)indole has a molecular weight of 297.32 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(piperazin-1-ylmethyl)-6-(trifluoromethyl)indole is sourced from PubChem (CID 117196130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).